1H-imidazole-2-carboxamide;N-methyliminonitrous amide

C5H8N6O2 — CID 87878969

IUPAC1H-imidazole-2-carboxamide;N-methyliminonitrous amide
SMILESC/N=N/N=O.NC(=O)c1ncc[nH]1
InChIInChI=1S/C4H5N3O.CH3N3O/c5-3(8)4-6-1-2-7-4;1-2-3-4-5/h1-2H,(H2,5,8)(H,6,7);1H3/b;3-2+
InChIKeyWLNUKSYBZDYMOR-ZPYUXNTASA-N
MW184.16 g/mol
LogP0.26
Rot. Bonds2

About 1H-imidazole-2-carboxamide;N-methyliminonitrous amide

1H-imidazole-2-carboxamide;N-methyliminonitrous amide (PubChem CID 87878969) has the molecular formula C5H8N6O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 1H-imidazole-2-carboxamide;N-methyliminonitrous amide.

Molecular Properties

Compound Name1H-imidazole-2-carboxamide;N-methyliminonitrous amide
PubChem CID87878969
Molecular FormulaC5H8N6O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name1H-imidazole-2-carboxamide;N-methyliminonitrous amide
SMILESC/N=N/N=O.NC(=O)c1ncc[nH]1
InChIInChI=1S/C4H5N3O.CH3N3O/c5-3(8)4-6-1-2-7-4;1-2-3-4-5/h1-2H,(H2,5,8)(H,6,7);1H3/b;3-2+
InChIKeyWLNUKSYBZDYMOR-ZPYUXNTASA-N
XLogP0.26
TPSA125.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-2-carboxamide;N-methyliminonitrous amide?
The IUPAC name of 1H-imidazole-2-carboxamide;N-methyliminonitrous amide (CID 87878969) is 1H-imidazole-2-carboxamide;N-methyliminonitrous amide.
What is the SMILES notation for 1H-imidazole-2-carboxamide;N-methyliminonitrous amide?
The canonical SMILES for 1H-imidazole-2-carboxamide;N-methyliminonitrous amide is C/N=N/N=O.NC(=O)c1ncc[nH]1.
What is the InChIKey of 1H-imidazole-2-carboxamide;N-methyliminonitrous amide?
The InChIKey is WLNUKSYBZDYMOR-ZPYUXNTASA-N. The full InChI is InChI=1S/C4H5N3O.CH3N3O/c5-3(8)4-6-1-2-7-4;1-2-3-4-5/h1-2H,(H2,5,8)(H,6,7);1H3/b;3-2+.
What are the key properties of 1H-imidazole-2-carboxamide;N-methyliminonitrous amide?
1H-imidazole-2-carboxamide;N-methyliminonitrous amide has a molecular weight of 184.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-2-carboxamide;N-methyliminonitrous amide is sourced from PubChem (CID 87878969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).